| CAS Number | 1000572-63-3 |
| Catalog Number | AG008XND |
| Chemical Name | 4-Bromo-2-chloro-5-fluoroaniline |
| IUPAC Name | 4-bromo-2-chloro-5-fluoroaniline |
| InChI | InChI=1S/C6H4BrClFN/c7-3-1-4(8)6(10)2-5(3)9/h1-2H,10H2 |
| InChI Key | QIXJYJRZGHXOLM-UHFFFAOYSA-N |
| MDL Number | MFCD09878155 |
| Molecular Formula | C6H4BrClFN |
| Molecular Weight | 224.4581 |
| SMILES | C1=C(C(=CC(=C1Cl)N)F)Br |
| Synonyms | 4-Bromo-2-chloro-5-fluoroaniline,
1000572-63-3,
SCHEMBL16303511,
CTK8E4850,
DTXSID40650245,
MFCD09878155,
ZINC15444523,
AKOS026671372,
FS-4351,
RT-024732,
Y3491,
Q-8686,
Z1741967807,
C6H4BrClFN,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.457g/mol |
| Monoisotopic Mass | 222.92g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number